CID 151971

2-[hexoxy(hydroxy)phosphoryl]acetic acid

Structural Information

Molecular Formula
C8H17O5P
SMILES
CCCCCCOP(=O)(CC(=O)O)O
InChI
InChI=1S/C8H17O5P/c1-2-3-4-5-6-13-14(11,12)7-8(9)10/h2-7H2,1H3,(H,9,10)(H,11,12)
InChIKey
ANOGDOSWBXUABW-UHFFFAOYSA-N
Compound name
2-[hexoxy(hydroxy)phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

224.08136 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08864 152.9
[M+Na]+ 247.07058 158.5
[M-H]- 223.07408 148.9
[M+NH4]+ 242.11518 170.3
[M+K]+ 263.04452 157.8
[M+H-H2O]+ 207.07862 146.1
[M+HCOO]- 269.07956 177.2
[M+CH3COO]- 283.09521 184.3
[M+Na-2H]- 245.05603 154.1
[M]+ 224.08081 157.5
[M]- 224.08191 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe